UCSF

ZINC42952838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 7.96 -124.3 4 2 2 32 313.283 4
Hi High (pH 8-9.5) 3.34 7.26 -32.69 3 2 1 30 312.275 4
Mid Mid (pH 6-8) 3.34 6.36 -41.43 3 2 1 31 312.275 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )